Oxopropanedinitrile


Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid50.42kcal/molCcbGlemser and Hausser, 1948Authors' hf298_condensed=47.5 kcal/mol
Quantity Value Units Method Reference Comment
Δcliquid-332.58 ± 0.64kcal/molCcbGlemser and Hausser, 1948Authors' hf298_condensed=47.5 kcal/mol

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap8.60 ± 0.80kcal/molVGlemser and Hausser, 1948Reanalyzed by Cox and Pilcher, 1970, Original value = 8.969 kcal/mol; Authors' hf298_condensed=47.5 kcal/mol; ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.96276.AStephenson and Malanowski, 1987Based on data from 250. to 291. K. See also Glemser and Haüser, 1948.; AC

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
12.56PEThomas and Thompson, 1972Vertical value; LLK

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Glemser and Hausser, 1948
Glemser, O.; Hausser, V., Kohlenoxydverbindungen der nichtmetalle II Eigenschoften von Carbonylcanid, Z. Naturforsch. B, 1948, 3, 159-163. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Glemser and Haüser, 1948
Glemser, O.; Haüser, V., Z. Naturforsch. B, 1948, 3B, 159. [all data]

Thomas and Thompson, 1972
Thomas, R.K.; Thompson, H., Photoelectron spectra of carbonyl halides and related compounds, Proc. R. Soc. London A:, 1972, 327, 13. [all data]


Notes

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